1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene

C78H90O11 — CID 158192508

IUPAC1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene
SMILESCCOc1cc(COc2ccc(C(C)(c3ccc(OCc4cc(OCC)cc(OCC)c4)cc3)c3ccc(OCc4cc(OCC)cc(OCC)c4)cc3)cc2)cc(OCC)c1.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.Cc1ccc(C)cc1
InChIInChI=1S/C53H60O9.C17H20O2.C8H10/c1-8-54-47-26-38(27-48(32-47)55-9-2)35-60-44-20-14-41(15-21-44)53(7,42-16-22-45(23-17-42)61-36-39-28-49(56-10-3)33-50(29-39)57-11-4)43-18-24-46(25-19-43)62-37-40-30-51(58-12-5)34-52(31-40)59-13-6;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-7-3-5-8(2)6-4-7/h14-34H,8-13,35-37H2,1-7H3;5-12H,1-4H3;3-6H,1-2H3
InChIKeyFZXYTNCFZJHBDN-UHFFFAOYSA-N
MW1203.57 g/mol
LogP18.50
Rot. Bonds28

About 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene

1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene (PubChem CID 158192508) has the molecular formula C78H90O11 and a molecular weight of 1203.57 g/mol. Its IUPAC name is 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene.

Molecular Properties

Compound Name1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene
PubChem CID158192508
Molecular FormulaC78H90O11
Molecular Weight1203.57 g/mol
Exact Mass1202.65
IUPAC Name1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene
SMILESCCOc1cc(COc2ccc(C(C)(c3ccc(OCc4cc(OCC)cc(OCC)c4)cc3)c3ccc(OCc4cc(OCC)cc(OCC)c4)cc3)cc2)cc(OCC)c1.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.Cc1ccc(C)cc1
InChIInChI=1S/C53H60O9.C17H20O2.C8H10/c1-8-54-47-26-38(27-48(32-47)55-9-2)35-60-44-20-14-41(15-21-44)53(7,42-16-22-45(23-17-42)61-36-39-28-49(56-10-3)33-50(29-39)57-11-4)43-18-24-46(25-19-43)62-37-40-30-51(58-12-5)34-52(31-40)59-13-6;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-7-3-5-8(2)6-4-7/h14-34H,8-13,35-37H2,1-7H3;5-12H,1-4H3;3-6H,1-2H3
InChIKeyFZXYTNCFZJHBDN-UHFFFAOYSA-N
XLogP18.50
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.57
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene?
The IUPAC name of 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene (CID 158192508) is 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene.
What is the SMILES notation for 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene?
The canonical SMILES for 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene is CCOc1cc(COc2ccc(C(C)(c3ccc(OCc4cc(OCC)cc(OCC)c4)cc3)c3ccc(OCc4cc(OCC)cc(OCC)c4)cc3)cc2)cc(OCC)c1.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.Cc1ccc(C)cc1.
What is the InChIKey of 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene?
The InChIKey is FZXYTNCFZJHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H60O9.C17H20O2.C8H10/c1-8-54-47-26-38(27-48(32-47)55-9-2)35-60-44-20-14-41(15-21-44)53(7,42-16-22-45(23-17-42)61-36-39-28-49(56-10-3)33-50(29-39)57-11-4)43-18-24-46(25-19-43)62-37-40-30-51(58-12-5)34-52(31-40)59-13-6;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-7-3-5-8(2)6-4-7/h14-34H,8-13,35-37H2,1-7H3;5-12H,1-4H3;3-6H,1-2H3.
What are the key properties of 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene?
1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene has a molecular weight of 1203.57 g/mol, XLogP of 18.50, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[1,1-bis[4-[(3,5-diethoxyphenyl)methoxy]phenyl]ethyl]phenoxy]methyl]-3,5-diethoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-xylene is sourced from PubChem (CID 158192508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).